4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol

C21H26N6O — CID 175505621

IUPAC4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccnc3c2cnn3C)Cc2ccc(N3CC(N)C(O)C3)cc21
InChIInChI=1S/C21H26N6O/c1-13-9-27(19-5-6-23-21-17(19)8-24-25(21)2)10-14-3-4-15(7-16(13)14)26-11-18(22)20(28)12-26/h3-8,13,18,20,28H,9-12,22H2,1-2H3/t13-,18?,20?/m0/s1
InChIKeyCFWHSFIIZSIPSE-VUXUOOGWSA-N
MW378.48 g/mol
LogP1.60
Rot. Bonds2

About 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol

4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol (PubChem CID 175505621) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol
PubChem CID175505621
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccnc3c2cnn3C)Cc2ccc(N3CC(N)C(O)C3)cc21
InChIInChI=1S/C21H26N6O/c1-13-9-27(19-5-6-23-21-17(19)8-24-25(21)2)10-14-3-4-15(7-16(13)14)26-11-18(22)20(28)12-26/h3-8,13,18,20,28H,9-12,22H2,1-2H3/t13-,18?,20?/m0/s1
InChIKeyCFWHSFIIZSIPSE-VUXUOOGWSA-N
XLogP1.60
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-6-piperazin-1-yl-3,4-dihydro-1H-isoquinoline
CID 163552103
(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
CID 120928941
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 124885077
trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129485289
(3R,5R)-5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 129350777
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
1-[2-amino-5-(3-amino-4-hydroxypyrrolidin-1-yl)phenyl]ethane-1,2-diol
CID 12011664
5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine
CID 171783955
7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
CID 167902903
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106667686

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol?
The IUPAC name of 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol (CID 175505621) is 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol is C[C@H]1CN(c2ccnc3c2cnn3C)Cc2ccc(N3CC(N)C(O)C3)cc21.
What is the InChIKey of 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol?
The InChIKey is CFWHSFIIZSIPSE-VUXUOOGWSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13-9-27(19-5-6-23-21-17(19)8-24-25(21)2)10-14-3-4-15(7-16(13)14)26-11-18(22)20(28)12-26/h3-8,13,18,20,28H,9-12,22H2,1-2H3/t13-,18?,20?/m0/s1.
What are the key properties of 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol?
4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol has a molecular weight of 378.48 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 175505621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).